N-but-1-enoxy-N-ethylethanamine

C8H17NO — CID 76548039

IUPACN-but-1-enoxy-N-ethylethanamine
SMILESCCC=CON(CC)CC
InChIInChI=1S/C8H17NO/c1-4-7-8-10-9(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyGIHNTNGBUNQYJN-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.18
Rot. Bonds5

About N-but-1-enoxy-N-ethylethanamine

N-but-1-enoxy-N-ethylethanamine (PubChem CID 76548039) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-but-1-enoxy-N-ethylethanamine.

Molecular Properties

Compound NameN-but-1-enoxy-N-ethylethanamine
PubChem CID76548039
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-but-1-enoxy-N-ethylethanamine
SMILESCCC=CON(CC)CC
InChIInChI=1S/C8H17NO/c1-4-7-8-10-9(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyGIHNTNGBUNQYJN-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-but-1-enoxy-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-but-1-enoxy-N-ethylethanamine?
The IUPAC name of N-but-1-enoxy-N-ethylethanamine (CID 76548039) is N-but-1-enoxy-N-ethylethanamine.
What is the SMILES notation for N-but-1-enoxy-N-ethylethanamine?
The canonical SMILES for N-but-1-enoxy-N-ethylethanamine is CCC=CON(CC)CC.
What is the InChIKey of N-but-1-enoxy-N-ethylethanamine?
The InChIKey is GIHNTNGBUNQYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-8-10-9(5-2)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-but-1-enoxy-N-ethylethanamine?
N-but-1-enoxy-N-ethylethanamine has a molecular weight of 143.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enoxy-N-ethylethanamine is sourced from PubChem (CID 76548039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).